3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione

C14H24N2O2 — CID 64973656

IUPAC3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)CN(C2(C)CCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-13(2,3)11-12(18)16(9-10(17)15-11)14(4)7-5-6-8-14/h11H,5-9H2,1-4H3,(H,15,17)
InChIKeyMPNGASTZIXZDDS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds1

About 3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione

3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione (PubChem CID 64973656) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione
PubChem CID64973656
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)CN(C2(C)CCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-13(2,3)11-12(18)16(9-10(17)15-11)14(4)7-5-6-8-14/h11H,5-9H2,1-4H3,(H,15,17)
InChIKeyMPNGASTZIXZDDS-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione (CID 64973656) is 3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione is CC(C)(C)C1NC(=O)CN(C2(C)CCCC2)C1=O.
What is the InChIKey of 3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione?
The InChIKey is MPNGASTZIXZDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2,3)11-12(18)16(9-10(17)15-11)14(4)7-5-6-8-14/h11H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione?
3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione is sourced from PubChem (CID 64973656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).